10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:607
Name:1-chloro-4-phenoxybenzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: benzene, 1-chloro-4-phenoxy-
Labels:
CAS:7005-72-3
InChi Code:InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
-0.47674

experimental value

1.0934

Tab2.Model_3: Global half-life index (Training set)

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